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Defense Technical Information Archive 14

Community Texts 7

Journals 2

MIT OpenCourseWare 1

Community Video 1

Community Texts 7

Journals 2

MIT OpenCourseWare 1

Community Video 1

DTIC Archive 14

Density Functional Theory 8

SYMPOSIA 7

DENSITY FUNCTIONAL THEORY. 6

" 5

*DENSITY FUNCTIONAL THEORY 5

ATOMS 3

COMPUTATIONS 3

DENSITY FUNCTIONAL THEORY 3

MOLECULES 3

SIMULATION 3

*FIRST PRINCIPLES CALCULATIONS 2

*NITROGEN COMPOUNDS 2

ALUMINUM GALLIUM ARSENIDES 2

Aniline 2

Barvosa-Carter, William 2

Boatz, Jerry A. 2

Concerted Reaction Mechanism 2

DIMERS 2

DOPING 2

GRADIENTS 2

Grosse, Frank 2

QUANTUM STATISTICS 2

Rice, Betsy M. 2

SEMICONDUCTORS 2

SINGLE CRYSTALS 2

Sn2 Transition State 2

Sorescu, Dan C. 2

Substituents Effect 2

Zinck, Jennifer J. 2

quantum mechanics 2

(MgO)9 and (CaO)9 1

*ABSORPTION 1

*ABSORPTION SPECTRA 1

*ADSORPTION 1

*ALUMINUM 1

*ALUMINUM OXIDES 1

*ANTIFERROMAGNETISM 1

*CARBON NANOTUBES 1

*CHARGE TRANSFER 1

*CHEMISORPTION 1

*CRYSTAL STRUCTURE 1

*ELECTROMAGNETIC PROPERTIES 1

*ELECTRON ELECTRON INTERACTIONS 1

*HYDROGEN 1

*INDIUM ARSENIDES 1

*INSENSITIVE EXPLOSIVES 1

*INTERACTIONS 1

*MANGANESE COMPOUNDS 1

*METASTABLE STATE 1

*NITROMETHANE 1

*OPTICAL PROCESSING 1

*OPTICAL PROPERTIES 1

*PHOTONS 1

*PREDICTIONS 1

*PYRITE 1

*QUANTUM CHEMISTRY 1

*QUANTUM DOTS 1

*QUANTUM WELLS 1

*SEMICONDUCTORS 1

*STABILIZATION 1

*STRUCTURAL PROPERTIES 1

*SUPERLATTICES 1

*SURFACES 1

*TUNNELING(ELECTRONICS) 1

*TWO PHOTON ABSORPTION 1

ACTIVATION ENERGY 1

ADSORPTION 1

AIR FORCE RESEARCH LAB EDWARDS AFB CA SPACE AND MISSILE PROPULSION DIV 1

AIR FORCE RESEARCH LAB WRIGHT-PATTERSON AFB OH MATERIALS AND MANUFACTURING DIRECTORATE 1

ALIGNMENT 1

ANIONS 1

ANTIFERROMAGNETISM 1

ANTIMONIDES 1

ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD WEAPONS AND MATERIALS RESEARCH DIRECTORATE 1

ARSENIDES 1

ATOMIC LAYER EPITAXY 1

AUSTRALIA 1

BONDING 1

BRAZIL 1

Baierle, R. J. 1

Barnard, A. S. 1

Briggs, G. A. 1

Bukowski, Robert 1

CALIFORNIA UNIV LOS ANGELES DEPT OF MATHEMATICS 1

CARBON 1

CO Adsorption 1

CO2 molecule 1

COBALT OXIDES 1

COLOGNE UNIV (GERMANY) INSTITUTE OF MINERALOGY AND GEOCHEMISTRY 1

CONCENTRATION(CHEMISTRY) 1

CONTRAST 1

COPPER 1

CROSS SECTIONS 1

CRYSTALS 1

Castell, M. R. 1

Catalysis 1

Coarse-graining 1

Continenza, A. 1

DEFORMATION 1

DELAWARE UNIV NEWARK DEPT OF PHYSICS AND ASTRONOMY 1

DEPARTMENT OF DEFENSE 1

DEPARTMENT OF ENERGY PITTSBURGH PA NATIONAL ENERGY TECHNOLOGY LAB 1

DFT 1

DIAMONDS 1

DISPERSING 1

DISSOCIATION 1

DYNAMIC RESPONSE 1

Day, P. N. 1

Delley, Bernard 1

Density functional theory 1

Density-functional theory 1

Dudarev, S. L. 1

EIGENVALUES 1

ELECTROMAGNETIC PROPERTIES 1

ELECTRON TRANSITIONS 1

ENERGETIC PROPERTIES 1

EPITAXIAL GROWTH 1

EQUILIBRIUM(GENERAL) 1

ETHYLENE 1

EXFOLIATION 1

EXPERIMENTAL DATA 1

FERMI SURFACES 1

FERROMAGNETISM 1

FIRST PRINCIPLES CALCULATIONS. 1

Fagan, Solange B. 1

Fazzio, A. 1

Fischer, James 1

Free energies 1

Freeman, A. J. 1

GALLIUM ARSENIDES 1

GROUND STATE 1

GROUP III COMPOUNDS 1

GROUP V COMPOUNDS 1

Geng, W. T. 1

Gold Monomer 1

Gyure, Mark F. 1

HETEROJUNCTIONS 1

HOLOGRAPHY 1

HRL LABS LLC MALIBU CA 1

HYDROGEN BONDS 1

HYDROGENATION 1

HYDROXYL RADICALS 1

Hartree-Fock 1

ILLINOIS UNIV AT URBANA-CAMPAIGN BECKMAN INST FOR ADVANCED SCIENCES AND TECHNOLOGY 1

INDIUM ARSENIDES 1

INTERACTIONS 1

ITALY 1

Imlau, Mirco 1

KINETICS 1

LETHALITY 1

LIGHT SCATTERING 1

Leburton, Jean-Pierre 1

MAGNETIC MATERIALS 1

MAGNETIC MOMENTS 1

MECHANICAL PROPERTIES 1

MOLECULAR BEAM EPITAXY. 1

MOLECULAR DYNAMICS 1

MONTE CARLO METHOD 1

MORPHOLOGY 1

MOSCOW STATE UNIV (RUSSIA) DEPT OF PHYSICS 1

Marks, N. A. 1

Mattson, William 1

Monte Carlo sampling 1

Mota, Ronaldo 1

NANOSTRUCTURES. 1

NITROGEN 1

NITROMETHANE 1

NORTHWESTERN UNIV EVANSTON IL 1

NaY Zeolite 1

Nagaraja, Satyadev 1

Nguyen, K. A. 1

ORGANIC COMPOUNDS 1

ORGANIC MATERIALS 1

OXFORD UNIV (UNITED KINGDOM) 1

Owen, James H. 1

PERFORMANCE(ENGINEERING) 1

PHASE TRANSFORMATIONS 1

PLANAR STRUCTURES 1

POLARIZATION 1

POLYMERS 1

PORPHYRINS 1

Pachter, R. 1

Picozzi, S. 1

Podeszwa, Rafal 1

QUADRATIC EQUATIONS 1

QUANTUM THEORY 1

RADIATION ABSORPTION 1

RAPID DEPLOYMENT 1

RDX 1

RELAXATION 1

ROOM TEMPERATURE 1

RUSSIA 1

Romero, Nichols A. 1

Russo, S. P. 1

SAO PAULO UNIV (BRAZIL) DEPT OF PHYSICS 1

SILICON 1

SODIUM COMPOUNDS 1

SOLID STATE PHYSICS 1

SOLVENTS 1

Density Functional Theory 8

SYMPOSIA 7

DENSITY FUNCTIONAL THEORY. 6

" 5

*DENSITY FUNCTIONAL THEORY 5

ATOMS 3

COMPUTATIONS 3

DENSITY FUNCTIONAL THEORY 3

MOLECULES 3

SIMULATION 3

*FIRST PRINCIPLES CALCULATIONS 2

*NITROGEN COMPOUNDS 2

ALUMINUM GALLIUM ARSENIDES 2

Aniline 2

Barvosa-Carter, William 2

Boatz, Jerry A. 2

Concerted Reaction Mechanism 2

DIMERS 2

DOPING 2

GRADIENTS 2

Grosse, Frank 2

QUANTUM STATISTICS 2

Rice, Betsy M. 2

SEMICONDUCTORS 2

SINGLE CRYSTALS 2

Sn2 Transition State 2

Sorescu, Dan C. 2

Substituents Effect 2

Zinck, Jennifer J. 2

quantum mechanics 2

(MgO)9 and (CaO)9 1

*ABSORPTION 1

*ABSORPTION SPECTRA 1

*ADSORPTION 1

*ALUMINUM 1

*ALUMINUM OXIDES 1

*ANTIFERROMAGNETISM 1

*CARBON NANOTUBES 1

*CHARGE TRANSFER 1

*CHEMISORPTION 1

*CRYSTAL STRUCTURE 1

*ELECTROMAGNETIC PROPERTIES 1

*ELECTRON ELECTRON INTERACTIONS 1

*HYDROGEN 1

*INDIUM ARSENIDES 1

*INSENSITIVE EXPLOSIVES 1

*INTERACTIONS 1

*MANGANESE COMPOUNDS 1

*METASTABLE STATE 1

*NITROMETHANE 1

*OPTICAL PROCESSING 1

*OPTICAL PROPERTIES 1

*PHOTONS 1

*PREDICTIONS 1

*PYRITE 1

*QUANTUM CHEMISTRY 1

*QUANTUM DOTS 1

*QUANTUM WELLS 1

*SEMICONDUCTORS 1

*STABILIZATION 1

*STRUCTURAL PROPERTIES 1

*SUPERLATTICES 1

*SURFACES 1

*TUNNELING(ELECTRONICS) 1

*TWO PHOTON ABSORPTION 1

ACTIVATION ENERGY 1

ADSORPTION 1

AIR FORCE RESEARCH LAB EDWARDS AFB CA SPACE AND MISSILE PROPULSION DIV 1

AIR FORCE RESEARCH LAB WRIGHT-PATTERSON AFB OH MATERIALS AND MANUFACTURING DIRECTORATE 1

ALIGNMENT 1

ANIONS 1

ANTIFERROMAGNETISM 1

ANTIMONIDES 1

ARMY RESEARCH LAB ABERDEEN PROVING GROUND MD WEAPONS AND MATERIALS RESEARCH DIRECTORATE 1

ARSENIDES 1

ATOMIC LAYER EPITAXY 1

AUSTRALIA 1

BONDING 1

BRAZIL 1

Baierle, R. J. 1

Barnard, A. S. 1

Briggs, G. A. 1

Bukowski, Robert 1

CALIFORNIA UNIV LOS ANGELES DEPT OF MATHEMATICS 1

CARBON 1

CO Adsorption 1

CO2 molecule 1

COBALT OXIDES 1

COLOGNE UNIV (GERMANY) INSTITUTE OF MINERALOGY AND GEOCHEMISTRY 1

CONCENTRATION(CHEMISTRY) 1

CONTRAST 1

COPPER 1

CROSS SECTIONS 1

CRYSTALS 1

Castell, M. R. 1

Catalysis 1

Coarse-graining 1

Continenza, A. 1

DEFORMATION 1

DELAWARE UNIV NEWARK DEPT OF PHYSICS AND ASTRONOMY 1

DEPARTMENT OF DEFENSE 1

DEPARTMENT OF ENERGY PITTSBURGH PA NATIONAL ENERGY TECHNOLOGY LAB 1

DFT 1

DIAMONDS 1

DISPERSING 1

DISSOCIATION 1

DYNAMIC RESPONSE 1

Day, P. N. 1

Delley, Bernard 1

Density functional theory 1

Density-functional theory 1

Dudarev, S. L. 1

EIGENVALUES 1

ELECTROMAGNETIC PROPERTIES 1

ELECTRON TRANSITIONS 1

ENERGETIC PROPERTIES 1

EPITAXIAL GROWTH 1

EQUILIBRIUM(GENERAL) 1

ETHYLENE 1

EXFOLIATION 1

EXPERIMENTAL DATA 1

FERMI SURFACES 1

FERROMAGNETISM 1

FIRST PRINCIPLES CALCULATIONS. 1

Fagan, Solange B. 1

Fazzio, A. 1

Fischer, James 1

Free energies 1

Freeman, A. J. 1

GALLIUM ARSENIDES 1

GROUND STATE 1

GROUP III COMPOUNDS 1

GROUP V COMPOUNDS 1

Geng, W. T. 1

Gold Monomer 1

Gyure, Mark F. 1

HETEROJUNCTIONS 1

HOLOGRAPHY 1

HRL LABS LLC MALIBU CA 1

HYDROGEN BONDS 1

HYDROGENATION 1

HYDROXYL RADICALS 1

Hartree-Fock 1

ILLINOIS UNIV AT URBANA-CAMPAIGN BECKMAN INST FOR ADVANCED SCIENCES AND TECHNOLOGY 1

INDIUM ARSENIDES 1

INTERACTIONS 1

ITALY 1

Imlau, Mirco 1

KINETICS 1

LETHALITY 1

LIGHT SCATTERING 1

Leburton, Jean-Pierre 1

MAGNETIC MATERIALS 1

MAGNETIC MOMENTS 1

MECHANICAL PROPERTIES 1

MOLECULAR BEAM EPITAXY. 1

MOLECULAR DYNAMICS 1

MONTE CARLO METHOD 1

MORPHOLOGY 1

MOSCOW STATE UNIV (RUSSIA) DEPT OF PHYSICS 1

Marks, N. A. 1

Mattson, William 1

Monte Carlo sampling 1

Mota, Ronaldo 1

NANOSTRUCTURES. 1

NITROGEN 1

NITROMETHANE 1

NORTHWESTERN UNIV EVANSTON IL 1

NaY Zeolite 1

Nagaraja, Satyadev 1

Nguyen, K. A. 1

ORGANIC COMPOUNDS 1

ORGANIC MATERIALS 1

OXFORD UNIV (UNITED KINGDOM) 1

Owen, James H. 1

PERFORMANCE(ENGINEERING) 1

PHASE TRANSFORMATIONS 1

PLANAR STRUCTURES 1

POLARIZATION 1

POLYMERS 1

PORPHYRINS 1

Pachter, R. 1

Picozzi, S. 1

Podeszwa, Rafal 1

QUADRATIC EQUATIONS 1

QUANTUM THEORY 1

RADIATION ABSORPTION 1

RAPID DEPLOYMENT 1

RDX 1

RELAXATION 1

ROOM TEMPERATURE 1

RUSSIA 1

Romero, Nichols A. 1

Russo, S. P. 1

SAO PAULO UNIV (BRAZIL) DEPT OF PHYSICS 1

SILICON 1

SODIUM COMPOUNDS 1

SOLID STATE PHYSICS 1

SOLVENTS 1

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